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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evaluation of distributed process-based hydrologic model performance using only a priori information to define model inputs

Fully distributed, integrated surface–subsurface hydrological models (ISSHMs) have seen renewed interest due to availability of better software, high performance computing facilities, and high-resolution, spatially extensive data products. ISSHMs are valuable as tools for advancing system understanding as they can resolve multiple processes defined on the plot scale including three-dimensional interaction of surface water and groundwater. Here, we evaluated the performance of an ISSHM, the Advanced Terrestrial Simulator (ATS), on seven diverse catchments across the continental US using widely available data products to define model inputs without calibration. We compare the ATS-simulated streamflow and evapotranspiration with gauge observations and MODIS-derived evapotranspiration, respectively. Using the Kling-Gupta Efficiency (KGE) as metric, ATS with default data products performed reasonably well at 6 of 7 catchments for streamflow. However, in one of those 6 catchments ATS had poor performance on baseflow and ATS’s overall performance was thus judged to be inadequate despite the acceptable KGE. ATS performance for evapotranspiration was good in all 7 catchments using default data products. In the two catchments where ATS streamflow performance using default data products was not acceptable, the performance was significantly improved by using local information on subsurface properties below the soil. We also compare the model-simulated streamflow and evapotranspiration with the Sacramento soil moisture accounting (SAC-SMA) model, a semi-distributed model that was calibrated on a catchment-by-catchment basis. Uncalibrated ATS performance is comparable to the calibrated SAC-SMA model in terms of streamflow while ATS performance is similar to or better (much better in certain catchments) in reproducing MODIS-derived evapotranspiration. Reasonably good performance of ATS without catchment-specific calibration provides new confidence in the ISSHM class of models and community data products as tools for advancing understanding of watershed function in a changing environment.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1976

A distribution benefits model for improved information on worldwide crop production. Volume 1: Model structure and application to wheat

The improved model is suitable for the study of benefits of worldwide information on a variety of crops. Application to the previously studied case of worldwide wheat production shows that about $108 million per year of distribution benefits to the United States would be achieved by a satellite-based wheat information system meeting the goals of LACIE. The model also indicates that improved information alone will not change world stock levels unless production itself is stabilized. The United States benefits mentioned above are associated with the reduction of price fluctuations within the year and the more effective use of international trade to balance supply and demand. Price fluctuations from year to year would be reduced only if production variability were itself reduced.

Andrews, J.↗
NASA NTRS2024

Humans to Mars, But How Many? Using Training Qualification Modeling to Inform Number of Crew

Missions to Mars will differ from all previous human spaceflight missions in that the crew of astronauts will be required to operate in an Earth-independent manner due to the long communication delays, making the decision on crew size critical to mission success. To support National Aeronautics and Space Administration (NASA) decision makers, NASA’s Engineering and Safety Center (NESC) developed a quantitative methodology for assessing the number of crew necessary to meet primary mission objectives and respond to unforeseen failures based on modeling of NASA’s crew training qualifications. We present results of a custom-built model of a Mars crew qualification and responsibility matrix (CQRM) and discuss the implications on trade space analysis of Mars mission crew size.

Mars↗
NASA NTRS2024

Humans to Mars, But How Many? Using Training Qualifications Modeling to Inform Number of Crew

Missions to Mars will differ from all previous human spaceflight missions in that the crew of astronauts will be required to operate in an Earth-independent manner due to the long communication delays, making the decision on crew size critical to mission success. To support National Aeronautics and Space Administration (NASA) decision makers, NASA’s Engineering and Safety Center (NESC) developed a quantitative methodology for assessing the number of crew necessary to meet primary mission objectives and respond to unforeseen failures based on modeling of NASA’s crew training qualifications. We present results of a custom-built model of a Mars crew qualification and responsibility matrix (CQRM) and discuss the implications on trade space analysis of Mars mission crew size.

Mars↗
DOE OSTI2023

Time-Dependent Boundary Modeling to Inform Design of SPARC Diagnostic and Actuators

The purpose of this work was to inform the design of diagnostic and actuator systems for a new experimental facility for Commonwealth Fusion Systems (CFS), called SPARC [Creely2020], using time-dependent plasma boundary simulations with the Scrape Off Layer Plasma Simulator (SOLPS) code [Wiesen2015]. The SPARC tokamak is a device that aims to demonstrate fusion energy production and high-field plasma operating scenarios. The developed technologies will be incorporated into a net-electricity pilot that will demonstrate approximately 200MW of electric power. A major difference from other private industry fusion companies is the use of a standard aspect ratio, but at a high magnetic field strength, which provides a well-established physics basis and a modest extrapolation to reactor operation. Time-dependent simulations were used to inform the design of main-chamber plasma facing components, which are protected by feedback control of the heat and particle loads during high power operation. The simulations provide the timescales and magnitudes of plasma and neutral particle response useful for determining the position and operation of diagnostics and actuators that will enable control. The plasma response and phase-space diagrams also provide input into advanced model-based control schemes, which are envisioned for later SPARC operation. Model-based control can reduce the risk of component failure, which would require expensive in-situ repairs and the associated delays, by predicting the system response to actuators over a short time-horizon.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Scenario Generation for Built Environment Decision Support under Uncertainty: Case Studies of Airflow Modeling and Climate-Resilient Infrastructure System Design

When confronted with unforeseen challenges, practicing informed decision making is crucial for enhancing resilience in the built environment. While scan-to-building information modeling (BIM) is a well-established approach for creating detailed digital representations of physical assets, its application in assessing and improving infrastructure resilience remains underexplored. This study addresses this gap by proposing a novel application of scan-to-BIM, namely, scan-to-BIM-to-digital twin (S-BIM-DT) workflow. By integrating reality capture and digital twin technologies, this workflow creates continuously updated and accurate digital representations of physical assets, enabling the generation of various scenarios. Unlike traditional methods, the S BIM-DT workflow facilitates continuous model refinement, supporting informed resilience strategies. By combining these technologies into a cohesive process, the workflow facilitates decision making under uncertainty, enabling stakeholders to evaluate and respond to various scenarios effectively. We demonstrate the implementation of the S-BIM-DT workflow through two use cases that highlight its capability to enhance resilience at different scales. The first use case involves the Combined Transportation, Emergency, and Communications Center (CTECC) in Austin, Texas. BIM-enriched computational fluid dynamics (CFD) modeling simulates airflow and develops alternative scenarios for optimizing the heating, ventilation, and air conditioning (HVAC) systems. This approach enhances resilience against airborne health threats in a postCOVID context. The second use case focuses on designated areas within Beaumont, Texas, as part of the Southeast Texas Urban Integrated Field Laboratory (SETx-UIFL) research. By developing inundation maps to assess extreme weather events, this modeling aids in preparedness efforts and informs the development of climate-resilient infrastructure in vulnerable neighborhoods. Results indicate that the S-BIM-DT workflow effectively generates scenarios that enhance resilience in the built environment by facilitating informed decision making. Furthermore, this study serves as a bridge between advanced scan-to-BIM methodologies and the practical strategies needed to improve built infrastructure resilience.

Built environment↗
DOE OSTI2023

CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling

Large-scale simulations with complex electron interactions remain one of the greatest challenges for atomistic modelling. Although classical force fields often fail to describe the coupling between electronic states and ionic rearrangements, the more accurate ab initio molecular dynamics suffers from computational complexity that prevents long-time and large-scale simulations, which are essential to study technologically relevant phenomena. Here we present the Crystal Hamiltonian Graph Neural Network (CHGNet), a graph neural network-based machine-learning interatomic potential (MLIP) that models the universal potential energy surface. CHGNet is pretrained on the energies, forces, stresses and magnetic moments from the Materials Project Trajectory Dataset, which consists of over 10 years of density functional theory calculations of more than 1.5 million inorganic structures. The explicit inclusion of magnetic moments enables CHGNet to learn and accurately represent the orbital occupancy of electrons, enhancing its capability to describe both atomic and electronic degrees of freedom. We demonstrate several applications of CHGNet in solid-state materials, including charge-informed molecular dynamics in Li x MnO 2 , the finite temperature phase diagram for Li x FePO 4 and Li diffusion in garnet conductors. We highlight the significance of charge information for capturing appropriate chemistry and provide insights into ionic systems with additional electronic degrees of freedom that cannot be observed by previous MLIPs.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Information Flow Model of Human Extravehicular Activity Operations

Future human spaceflight missions will face the complex challenge of performing human extravehicular activity (EVA) beyond the low Earth orbit (LEO) environment. Astronauts will become increasingly isolated from Earth-based mission support and thus will rely heavily on their own decision-making capabilities and onboard tools to accomplish proposed EVA mission objectives. To better address time delay communication issues, EVA characters, e.g. flight controllers, astronauts, etc., and their respective work practices and roles need to be better characterized and understood. This paper presents the results of a study examining the EVA work domain and the personnel that operate within it. The goal is to characterize current and historical roles of ground support, intravehicular (IV) crew and EV crew, their communication patterns and information needs. This work provides a description of EVA operations and identifies issues to be used as a basis for future investigation.

Miller, Matthew J.↗
NASA NTRS1991

Analysis of the potential application of the Davenport/Short information technology model to a research and development organization

Part of the role of the Mission Operations Lab is the development of budget inputs for Huntsville Operations/Payload Crew Training Center/Payload Operations Control Center (HOSC/PCTC/POCC) activity. These budget inputs are part of the formal Program Operating Plan (POP) process, which occurs twice yearly, and of the formal creation of the yearly operating plan. Both POPs and the operation plan serve the purpose of mapping out planned expenditures for the next fiscal year and for a number of outlying years. Based on these plans, the various Project Offices at the Center fund the HOSC/PCTC/POCC activity. Because of Mission Operations Lab's role in budget development, some of the Project Offices have begun looking to Mission Operations, and specifically the EO02 branch, to track expenditures and explain/justify any deviations from plans. EO02 has encountered difficulties acquiring the necessary information to perform this function. It appears that the necessary linkages with other units had not been fully developed and integrated with the flow of information in budget implementation. The purpose of this study is to document the budget process from the point of view of EO02 and to identify the steps necessary for it to effectively perform this role on a continuous basis.

Decker, Deron R.↗
NASA NTRSDate not supplied

Humans to Mars, but How Many? Using Training Requirements Modeling to Inform Crew Size

Missions to Mars will differ from previous human spaceflight missions in that the onboard crew of astronauts will be required to operate in an Earth-independent manner due to the long communication delays. Without a systematic, repeatable process to determine the number and composition of crew necessary to successfully accomplish these missions, NASA increases the risk that crew sizes may be too small to meet primary mission objectives under nominal conditions and, more consequentially, that crewmembers may not have the expertise needed to successfully respond to unforeseen failures without the real-time expertise of the Mission Control Central (MCC) team NASA currently relies upon. The NASA Engineering and Safety Center (NESC) is developing a methodology for assessing the trade space of factors that affect the number of crew for future missions. This methodology includes the consideration of results from three human performance models developed using the Improved Performance Research and Integration Tool (IMPRINT) modeling platform as well as a custom-built model on expertise trained within the crew. The IMPRINT results will be presented in the modeling and simulation sub-tag. Here we present results of a model based on NASA’s crew qualification and responsibility matrix (CQRM), a tool used to identify the crew qualifications for each area of responsibility (operation, system, and payload) for a mission. The model outputs an optimized allocation of training assignments along with a flight-assigned CQRM that can be used to consider the expertise that can be trained within a crew of a given size. We discuss the CQRM model result implications on the trade space for Mars mission crew size.

Mars↗
NASA NTRSDate not supplied

Humans to Mars, but How Many? Using Training Requirements Modeling to Inform Crew Size

Missions to Mars will differ from previous human spaceflight missions in that the onboard crew of astronauts will be required to operate in an Earth-independent manner due to the long communication delays. Without a systematic, repeatable process to determine the number and composition of crew necessary to successfully accomplish these missions, NASA increases the risk that crew sizes may be too small to meet primary mission objectives under nominal conditions and, more consequentially, that crewmembers may not have the expertise needed to successfully respond to unforeseen failures without the real-time expertise of the Mission Control Central (MCC) team NASA currently relies upon. The NASA Engineering and Safety Center (NESC) is developing a methodology for assessing the trade space of factors that affect the number of crew for future missions. This methodology includes the consideration of results from three human performance models developed using the Improved Performance Research and Integration Tool (IMPRINT) modeling platform as well as a custom-built model on expertise trained within the crew. The IMPRINT results will be presented in the modeling and simulation sub-tag. Here we present results of a model based on NASA’s crew qualification and responsibility matrix (CQRM), a tool used to identify the crew qualifications for each area of responsibility (operation, system, and payload) for a mission. The model outputs an optimized allocation of training assignments along with a flight-assigned CQRM that can be used to consider the expertise that can be trained within a crew of a given size. We discuss the CQRM model result implications on the trade space for Mars mission crew size.

Mars↗
DOE OSTI2024

Cloud-based Testbed for Adaptive Under-Frequency Load Shedding with High DER Penetration

Increasing penetration of distributed energy resources and behind-the-meter renewables may soon disrupt the efficacy of critical protection schemes, such as under-frequency load shedding (UFLS). Improved data exchange and coordination across the transmission-distribution boundary will be required to maintain reliability of bulk electric system. Standards-based data integration platforms using agreed-upon semantic vocabularies, such as the Common Information Model, will be key to enabling adaptive protection schemes requiring synthesized data from both the bulk power system and behind-the-meter resources. This paper introduces a cloud-based open-source data integration environment and UFLS clustering algorithm being developed to enable adaptive relay coordination between transmission and distribution utilities in the state of Vermont.

Anderson, Alexander A.↗
DOE OSTI2025

Ensemble‐Based, Large‐Eddy Reconstruction of Wind Turbine Inflow in a Near‐Stationary Atmospheric Boundary Layer Through Generative Artificial Intelligence

ABSTRACT To validate the second‐by‐second dynamics of turbines in field experiments, it is necessary to accurately reconstruct the winds going into the turbine. Current time‐resolved inflow reconstruction techniques estimate wind behavior in unobserved regions using relatively simple spectral‐based models of the atmosphere. Here, we develop a technique for time‐resolved inflow reconstruction that is rooted in a large‐eddy simulation model of the atmosphere. Our “large‐eddy reconstruction” technique blends observations and atmospheric model information through a diffusion model machine learning algorithm, allowing us to generate probabilistic ensembles of reconstructions for a single 10‐min observational period. Our generated inflows can be used directly by aeroelastic codes or as inflow boundary conditions in a large‐eddy simulation. We verify the second‐by‐second reconstruction capability of our technique in three synthetic field campaigns, finding positive Pearson correlation coefficient values () between ground‐truth and reconstructed streamwise velocity, as well as smaller positive correlation coefficient values for unobserved fields (spanwise velocity, vertical velocity, and temperature). We validate our technique in three real‐world case studies by driving large‐eddy simulations with reconstructed inflows and comparing to independent inflow measurements. The reconstructions are visually similar to measurements, follow desired power spectra properties, and track second‐by‐second behavior ().

17 WIND ENERGY↗
DOE OSTI2023

Insights into the Oxygen Evolution Reaction on Graphene-Based Single-Atom Catalysts from First-Principles-Informed Microkinetic Modeling

Single-atom transition metals embedded in nitrogen-doped graphene have emerged as promising electrocatalysts due to their high activity and low material cost. These materials have been shown to catalyze a variety of electrochemical reactions, but their active sites under reaction conditions remain poorly understood. Using first-principles density functional theory calculations, we develop a pH-dependent microkinetic model to evaluate the relative performance of transition metal catalysts embedded in fourfold N-substituted double carbon vacancies in graphene for the oxygen evolution reaction. We find that reaction pathways involving intermediates co-adsorbed on the metal site are preferred on all transition metals. These pathways lead to enhancements in catalytic activity and broaden the activity peak when compared with purely thermodynamics-based predictions. Furthermore, these findings demonstrate the importance of investigating reaction pathways on graphene-based catalysts and other two-dimensional (2D) materials that involve metal active centers decorated by spectator intermediate species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Gene-informed decomposition model predicts lower soil carbon loss due to persistent microbial adaptation to warming

Abstract Soil microbial respiration is an important source of uncertainty in projecting future climate and carbon (C) cycle feedbacks. However, its feedbacks to climate warming and underlying microbial mechanisms are still poorly understood. Here we show that the temperature sensitivity of soil microbial respiration ( Q 10 ) in a temperate grassland ecosystem persistently decreases by 12.0 ± 3.7% across 7 years of warming. Also, the shifts of microbial communities play critical roles in regulating thermal adaptation of soil respiration. Incorporating microbial functional gene abundance data into a microbially-enabled ecosystem model significantly improves the modeling performance of soil microbial respiration by 5–19%, and reduces model parametric uncertainty by 55–71%. In addition, modeling analyses show that the microbial thermal adaptation can lead to considerably less heterotrophic respiration (11.6 ± 7.5%), and hence less soil C loss. If such microbially mediated dampening effects occur generally across different spatial and temporal scales, the potential positive feedback of soil microbial respiration in response to climate warming may be less than previously predicted.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Metaproteomics-informed stoichiometric modeling reveals the responses of wetland microbial communities to oxygen and sulfate exposure

Abstract Climate changes significantly impact greenhouse gas emissions from wetland soil. Specifically, wetland soil may be exposed to oxygen (O 2 ) during droughts, or to sulfate (SO 4 2- ) as a result of sea level rise. How these stressors – separately and together – impact microbial food webs driving carbon cycling in the wetlands is still not understood. To investigate this, we integrated geochemical analysis, proteogenomics, and stoichiometric modeling to characterize the impact of elevated SO 4 2- and O 2 levels on microbial methane (CH 4 ) and carbon dioxide (CO 2 ) emissions. The results uncovered the adaptive responses of this community to changes in SO 4 2- and O 2 availability and identified altered microbial guilds and metabolic processes driving CH 4 and CO 2 emissions. Elevated SO 4 2- reduced CH 4 emissions, with hydrogenotrophic methanogenesis more suppressed than acetoclastic. Elevated O 2 shifted the greenhouse gas emissions from CH 4 to CO 2 . The metabolic effects of combined SO 4 2- and O 2 exposures on CH 4 and CO 2 emissions were similar to those of O 2 exposure alone. The reduction in CH 4 emission by increased SO 4 2- and O 2 was much greater than the concomitant increase in CO 2 emission. Thus, greater SO 4 2- and O 2 exposure in wetlands is expected to reduce the aggregate warming effect of CH 4 and CO 2 . Metaproteomics and stoichiometric modeling revealed a unique subnetwork involving carbon metabolism that converts lactate and SO 4 2- to produce acetate, H 2 S, and CO 2 when SO 4 2- is elevated under oxic conditions. This study provides greater quantitative resolution of key metabolic processes necessary for the prediction of CH 4 and CO 2 emissions from wetlands under future climate scenarios.

59 BASIC BIOLOGICAL SCIENCES↗